7-(2-chloranylethanoyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(2-chloranylethanoyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(2-chloroacetyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(2-chloro-1-oxoethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(2-chloroacetyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chloroacetyl)-1,3-dimethyl-xanthine Formula: C9H9ClN4O3 MolecularWeight: 256.64576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(=O)CCl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(=O)CCl

InChI

InChI=1S/C9H9ClN4O3/c1-12-7-6(8(16)13(2)9(12)17)14(4-11-7)5(15)3-10/h4H,3H2,1-2H3